Publications related to Closed system

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

Universal machine learning for the response of atomistic systems to external fields

Yaolong Zhang

Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

Nature Portfolio2023

Mercury Isotope Fractionation during Dark Abiotic Reduction of Hg(II) by Dissolved, Surface-Bound, and Structural Fe(II)

Lorenz Schwab

Stable mercury (Hg) isotope ratios are an emerging tracer for biogeochemical transformations in environmental systems, but their application requires knowledge of isotopic enrichment factors for individual processes. We investigated Hg isotope fractionatio ...

Amer Chemical Soc2023

Control-oriented modeling and analysis of tubular dielectric elastomer actuators dedicated to cardiac assist devices

Yves Perriard, Yoan René Cyrille Civet, Thomas Guillaume Martinez, Armando Matthieu Walter, Ning Liu

This paper deals with the control-oriented modeling of a multilayered dielectric elastomer actuator based tube. The actuator is clamped at both sides and performs a radial displacement. The hyperelastic deformation and the viscoelastic performance, togethe ...

2022

Transport across thin membranes: Effective solute flux jump

François Gallaire, Pier Giuseppe Ledda, Giuseppe Antonio Zampogna

A model to describe the transport across membranes of chemical species dissolved in an incompressible flow is developed via homogenization. The asymptotic matching between the microscopic and macroscopic solute concentration fields leads to a solute flux j ...

AIP Publishing2022

Continuous dissipative phase transitions with or without symmetry breaking

Fabrizio Minganti

The paradigm of second-order phase transitions (PTs) induced by spontaneous symmetry breaking (SSB) in thermal and quantum systems is a pillar of modern physics that has been fruitfully applied to out-of-equilibrium open quantum systems. Dissipative phase ...

IOP Publishing Ltd2021

Mass-Zero constrained dynamics and statistics for the shell model in magnetic field

Sara Bonella, Alessandro Coretti, David Daniel Girardier

In several domains of physics, including first principle simulations and classical models for polarizable systems, the minimization of an energy function with respect to a set of auxiliary variables must be performed to define the dynamics of physical degr ...

EDP Sciences, Springer2021

From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves

Ursula Röthlisberger, Martin Peter Bircher

Exact exchange is a primordial ingredient in Kohn–Sham Density Functional Theory based Molecular Dynamics (MD) simulations whenever thermodynamic properties, kinetics, barrier heights or excitation energies have to be predicted with high accuracy. However, ...

2020

Normalized Gaussian path integrals

Giulio Corazza

Path integrals play a crucial role in describing the dynamics of physical systems subject to classical or quantum noise. In fact, when correctly normalized, they express the probability of transition between two states of the system. In this work, we show ...

AMER PHYSICAL SOC2020

Kinematic and metallicity properties of the Aquarius dwarf galaxy from FORS2 MXU spectroscopy

Pascale Jablonka

Context. Dwarf galaxies found in isolation in the Local Group (LG) are unlikely to have interacted with the large LG spirals, and therefore environmental effects such as tidal and ram-pressure stripping should not be the main drivers of their evolution. Ai ...

EDP SCIENCES S A2020

Microfluidic-based linear-optics label-free imager

Demetri Psaltis

Linear optics based nanoscopy previously reached resolution beyond the diffraction limit, illuminating samples in the visible light regime while allowing light to interact with freely moving metallic nanoparticles. However, the hydrodynamics governing the ...

ROYAL SOC CHEMISTRY2020

Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory

Satoshi Takahama, Mária Lbadaoui-Darvas

Water activity and related thermodynamic properties are calculated for several aqueous solutions using equilibrium molecular dynamics in conjunction with the recent extension of the Kirkwood-Buff (KB) theory for closed systems. The general applicability of ...

AMER CHEMICAL SOC2019

Kinetic approach to the Schwinger effect during inflation

Oleksandr Sobol

Using the kinetic approach, we study the impact of the charged particle dynamics due to the Schwinger effect on the electric field evolution during inflation. As a simple model of the electric field generation, we consider the kinetic coupling of the elect ...

American Physical Society2019

A Large Range of Motion 3D MEMS Scanner With Five Degrees of Freedom

Matthias Imboden

Here, we discuss a novel, mixed mode 3D XYZ scanner built within a single foundry process. The device has a large range of motion in X, Y, and Z (14.1 mu m in X and Y and 97.9 mu m in Z) and can also rotate about two axes (7.4 degrees), making it a 5 degre ...

Institute of Electrical and Electronics Engineers2019

Improving Performance and Accuracy of Hybrid-Functional Based Molecular Dynamics in Plane Waves

Martin Peter Bircher

The simulation of condensed matter in first principles Molecular Dynamics (FPMD) heavily relies on Kohn-Sham Density Functional Theory (KS-DFT) calculations. The accuracy of such simulations is governed by the reliability of the underlying potential energy ...

EPFL2018

Electrochemical potential window of battery electrolytes: the HOMO-LUMO misconception

Hubert Girault, Pekka Eero Peljo

A widespread misconception in the lithium ion battery literature is the equality of the energy difference of HOMO and LUMO of the solvent with the electrochemical stability window. HOMO and LUMO are concepts derived from approximated electronic structure t ...

2018

A universal chemical potential for sulfur vapours

Davide Tiana

The unusual chemistry of sulfur is illustrated by the tendency for catenation. Sulfur forms a range of open and closed S-n species in the gas phase, which has led to speculation on the composition of sulfur vapours as a function of temperature and pressure ...

2016

Quantum molecular master equations

Jean-Philippe Ansermet, Sylvain Bréchet, François Reuse, Klaus Maschke

We present the quantum master equations for midsize molecules in the presence of an external magnetic field. The Hamiltonian describing the dynamics of a molecule accounts for the molecular deformation and orientation properties, as well as for the electro ...

American Physical Society2016

Modelling of plasmonic systems : advanced numerical methods and applications

Raziman Thottungal Valapu

Metallic nanostructures interact in complex ways with light, forming the subject of plasmonics and bringing novel physical phenomena and practical applications. The fundamental and practical importance of plasmonics necessitates the development of a multit ...

EPFL2016

Property changes in thermo-hydro-mechanical processing COST Action FP0904 2010-2014: Thermo-hydro-mechanical wood behavior and processing

Parviz Navi

Thermo-hydro-mechanical (THM) treatment is a combined action of temperature, moisture, and mechanical force, which leads to modified wood (THMW). Various types of eco-friendly THM processes have been developed to enhance wood properties and generate new ma ...

Walter De Gruyter Gmbh2015